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5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide

C84H75Cl3F4N10O6S — CID 158038713

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(C)C(CC(=O)c1cc2cc(F)ccc2[nH]1)c1cccs1.CC(NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)c1cccnc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1.Cc1ccc(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)o1
InChIInChI=1S/C18H18FNOS.C17H15ClN2O.C17H14F2N2O.C16H13Cl2N3O.C16H15FN2O2/c1-11(2)14(18-4-3-7-22-18)10-17(21)16-9-12-8-13(19)5-6-15(12)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-10(11-3-2-4-13(18)7-11)20-17(22)16-9-12-8-14(19)5-6-15(12)21-16;1-9(10-3-2-6-19-8-10)20-16(22)14-7-11-13(21-14)5-4-12(17)15(11)18;1-9-3-6-15(21-9)10(2)18-16(20)14-8-11-7-12(17)4-5-13(11)19-14/h3-9,11,14,20H,10H2,1-2H3;2-11,20H,1H3,(H,19,21);2-10,21H,1H3,(H,20,22);2-9,21H,1H3,(H,20,22);3-8,10,19H,1-2H3,(H,18,20)
InChIKeyFIBWALJOIKAOLQ-UHFFFAOYSA-N
MW1535.01 g/mol
LogP21.69
Rot. Bonds17

About 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide

5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 158038713) has the molecular formula C84H75Cl3F4N10O6S and a molecular weight of 1535.01 g/mol. Its IUPAC name is 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID158038713
Molecular FormulaC84H75Cl3F4N10O6S
Molecular Weight1535.01 g/mol
Exact Mass1532.46
IUPAC Name5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(C)C(CC(=O)c1cc2cc(F)ccc2[nH]1)c1cccs1.CC(NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)c1cccnc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1.Cc1ccc(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)o1
InChIInChI=1S/C18H18FNOS.C17H15ClN2O.C17H14F2N2O.C16H13Cl2N3O.C16H15FN2O2/c1-11(2)14(18-4-3-7-22-18)10-17(21)16-9-12-8-13(19)5-6-15(12)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-10(11-3-2-4-13(18)7-11)20-17(22)16-9-12-8-14(19)5-6-15(12)21-16;1-9(10-3-2-6-19-8-10)20-16(22)14-7-11-13(21-14)5-4-12(17)15(11)18;1-9-3-6-15(21-9)10(2)18-16(20)14-8-11-7-12(17)4-5-13(11)19-14/h3-9,11,14,20H,10H2,1-2H3;2-11,20H,1H3,(H,19,21);2-10,21H,1H3,(H,20,22);2-9,21H,1H3,(H,20,22);3-8,10,19H,1-2H3,(H,18,20)
InChIKeyFIBWALJOIKAOLQ-UHFFFAOYSA-N
XLogP21.69
TPSA238.45 Ų
H-Bond Donors9
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001535.01
LogP ≤ 521.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide (CID 158038713) is 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide is CC(C)C(CC(=O)c1cc2cc(F)ccc2[nH]1)c1cccs1.CC(NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)c1cccnc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1.Cc1ccc(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)o1.
What is the InChIKey of 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is FIBWALJOIKAOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS.C17H15ClN2O.C17H14F2N2O.C16H13Cl2N3O.C16H15FN2O2/c1-11(2)14(18-4-3-7-22-18)10-17(21)16-9-12-8-13(19)5-6-15(12)20-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-10(11-3-2-4-13(18)7-11)20-17(22)16-9-12-8-14(19)5-6-15(12)21-16;1-9(10-3-2-6-19-8-10)20-16(22)14-7-11-13(21-14)5-4-12(17)15(11)18;1-9-3-6-15(21-9)10(2)18-16(20)14-8-11-7-12(17)4-5-13(11)19-14/h3-9,11,14,20H,10H2,1-2H3;2-11,20H,1H3,(H,19,21);2-10,21H,1H3,(H,20,22);2-9,21H,1H3,(H,20,22);3-8,10,19H,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 1535.01 g/mol, XLogP of 21.69, 17 rotatable bonds, 9 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;4,5-dichloro-N-(1-pyridin-3-ylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158038713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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